SCHEMBL6574520

SCHEMBL6574520

CCOC(=O)C1CC1(Br)Br

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TRPA1 O75762 1/20 0.38
LMNA P02545 3/20 0.38
PPM1B O75688 1/20 0.38
PTPN1 P18031 1/20 0.38
PPP1CC P36873 1/20 0.38
CYP1A2 P05177 1/20 0.38
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX15 P16050 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8462991 0.83 ALDH1A1 (0.40) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL5934756 0.80 CYP3A4 (0.38) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL5934568 0.80 CYP3A4 (0.38) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL5934301 0.80 CYP3A4 (0.38) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL294716 0.80 LMNA (0.43) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL3691417 0.78 ALDH1A1 (0.47) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL16409442 0.77 LMNA (0.41) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL11042018 0.77 CYP1A2 (0.41) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL7189787 0.77 MAPT (0.39) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL1577514 0.77 MAPT (0.39) MAPTALDH1A1CYP3A4CYP2D6CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165560-B1 2-HYDROXY METHYLCYCLOPRO PYLIDENEMETHYL PURINES AS ANTIVIRAL AGENTS UNIV MICHIGAN (US) 2004-11-17 EP disclosed